5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole

C19H18Cl2N2 — CID 139695560

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole
SMILESClc1ccc(Cc2cnc(CCCc3ccccc3)[nH]2)cc1Cl
InChIInChI=1S/C19H18Cl2N2/c20-17-10-9-15(12-18(17)21)11-16-13-22-19(23-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,22,23)
InChIKeyANUMKSLUEHSDTR-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.48
Rot. Bonds6

About 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole

5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole (PubChem CID 139695560) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole
PubChem CID139695560
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole
SMILESClc1ccc(Cc2cnc(CCCc3ccccc3)[nH]2)cc1Cl
InChIInChI=1S/C19H18Cl2N2/c20-17-10-9-15(12-18(17)21)11-16-13-22-19(23-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,22,23)
InChIKeyANUMKSLUEHSDTR-UHFFFAOYSA-N
XLogP5.48
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
CID 139695517
4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695554
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
1,2-bis[5-(3-phenylpropyl)-1H-imidazol-2-yl]ethanol
CID 164519484
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
1,4-bis(3-phenylpropyl)benzene
CID 59467322
8-(3-phenylpropyl)-7H-purine
CID 114402499
8-[(3,4-dichlorophenyl)methyl]-7H-purine
CID 114402573
5-(5-phenylpentyl)-1H-imidazol-2-amine
CID 46848173
5-benzyl-2-benzylsulfanyl-1H-imidazole
CID 10221342
4-(4-bromo-4-phenylbutyl)-1,2-dichlorobenzene
CID 64506775
2-(5-benzyl-1H-imidazol-2-yl)-1-(3,4-dichlorophenyl)guanidine;hydrochloride
CID 71464804

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole (CID 139695560) is 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole is Clc1ccc(Cc2cnc(CCCc3ccccc3)[nH]2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole?
The InChIKey is ANUMKSLUEHSDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2/c20-17-10-9-15(12-18(17)21)11-16-13-22-19(23-16)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13H,4,7-8,11H2,(H,22,23).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole?
5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole has a molecular weight of 345.27 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole is sourced from PubChem (CID 139695560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).